Compound Identification
SMILES
COC1=C(Br)C=C(C=C1)C(=O)C1C2C(C3N1C=CC1=CC=CC=C31)C(=O)N(C2=O)C1=CC=C(F)C=C1
InChIKey
InChIKey=UYWXKCLFANPCNP-UHFFFAOYSA-N
Formula
C28H20BrFN2O4
Mass
547.38
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
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Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
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Level 7
Phenylketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
Phenylpyrrolidines Anisoles Phenoxy compounds Aryl alkyl ketones Benzoyl derivatives Methoxybenzenes Alkyl aryl ethers Aralkylamines Bromobenzenes Fluorobenzenes Pyrrolidine-2-ones Aryl bromides Aryl fluorides N-substituted carboxylic acid imides Dicarboximides Alpha-amino ketones Pyrroles Amino acids and derivatives Trialkylamines Lactams Azacyclic compounds Enamines Organic oxides Organobromides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - 1-phenylpyrrolidine - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Aryl alkyl ketone - Phenol ether - Alkyl aryl ether - Bromobenzene - Aralkylamine - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carboxylic acid imide, n-substituted - Pyrrolidone - 2-pyrrolidone - Alpha-aminoketone - Pyrrolidine - Pyrrole - Carboxylic acid imide - Dicarboximide - Lactam - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Organoheterocyclic compound - Ether - Azacycle - Carboxylic acid derivative - Enamine - Amine - Organofluoride - Organonitrogen compound - Organobromide - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available